SCHEMBL6091975

SCHEMBL6091975

O=C1NC(c2ccc(F)c(F)c2)N2CCC(=NO)c3cccc1c32

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
CREBBP Q92793 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6091971 1.00 PARP1 (0.35) PARP1CREBBPHTR2CHTR2BKDM4E
SCHEMBL6090978 0.88 KDM4E (0.37) CREBBPKDM4EALDH1A1HPGD
SCHEMBL6090982 0.88 KDM4E (0.37) CREBBPKDM4EALDH1A1HPGD
SCHEMBL6091283 0.88 KDM4E (0.37) PARP1KDM4EALDH1A1HPGD
SCHEMBL6091280 0.88 KDM4E (0.37) PARP1KDM4EALDH1A1HPGD
SCHEMBL6091167 0.88 PARP1 (0.42) PARP1HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6091162 0.88 PARP1 (0.42) PARP1HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6092128 0.85 HTR2C (0.34) PARP1CREBBPHTR2CHTR2BKDM4E
SCHEMBL6090599 0.84 TNKS2 (0.35) PARP1HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6090604 0.84 TNKS2 (0.35) PARP1HTR2CHTR2BKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 PARP1 1/4885CREBBP 367/4885HTR2C 3206/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.